(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride

C10H7ClF9NO — CID 171312744

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1cc(OC(F)(F)F)ccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F9NO.ClH/c11-6-2-1-4(21-10(17,18)19)3-5(6)7(20)8(12,13)9(14,15)16;/h1-3,7H,20H2;1H/t7-;/m1./s1
InChIKeyICKFWSPAAQUDRE-OGFXRTJISA-N
MW363.61 g/mol
LogP4.34
Rot. Bonds3

About (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride (PubChem CID 171312744) has the molecular formula C10H7ClF9NO and a molecular weight of 363.61 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
PubChem CID171312744
Molecular FormulaC10H7ClF9NO
Molecular Weight363.61 g/mol
Exact Mass363.01
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1cc(OC(F)(F)F)ccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F9NO.ClH/c11-6-2-1-4(21-10(17,18)19)3-5(6)7(20)8(12,13)9(14,15)16;/h1-3,7H,20H2;1H/t7-;/m1./s1
InChIKeyICKFWSPAAQUDRE-OGFXRTJISA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
(2R,3R)-3-amino-1,1,1-trifluoro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171266107
(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171271754
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 171216225
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171216230
(1R)-2,2,3,3,3-pentafluoro-1-(2,3,4-trifluorophenyl)propan-1-amine;hydrochloride
CID 171312382
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 153302415

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride (CID 171312744) is (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride is Cl.N[C@H](c1cc(OC(F)(F)F)ccc1F)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride?
The InChIKey is ICKFWSPAAQUDRE-OGFXRTJISA-N. The full InChI is InChI=1S/C10H6F9NO.ClH/c11-6-2-1-4(21-10(17,18)19)3-5(6)7(20)8(12,13)9(14,15)16;/h1-3,7H,20H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride has a molecular weight of 363.61 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171312744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).